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Water → 4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-aminophenylethynyl)cyclohexan-1-one

HRID 343548
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HRID 343548 반응식
[CH:1]1([O:6][C:7]2[CH:8]=[C:9]([C:15]3([C:25]#[C:26][C:27]4[CH:32]=[CH:31][C:30]([N+:33]([O-])=O)=[CH:29][CH:28]=4)[CH2:20][CH2:19][C:18]4(OCC[O:21]4)[CH2:17][CH2:16]3)[CH:10]=[CH:11][C:12]=2[O:13][CH3:14])[CH2:5][CH2:4][CH2:3][CH2:2]1.O.[OH-].[NH4+].C(=O)([O-])[O-].[Na+].[Na+]>CO.C(O)(=O)C.[Cl-].[Cl-].[Cl-].[Ti+3].ClCCl>[CH:1]1([O:6][C:7]2[CH:8]=[C:9]([C:15]3([C:25]#[C:26][C:27]4[CH:28]=[CH:29][C:30]([NH2:33])=[CH:31][CH:32]=4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[CH:10]=[CH:11][C:12]=2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1
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참가 물질

9

반응물 4

HCID 962Water2회HCID 10340Sodium CarbonateHCID 14923Ammonium HydroxideHCID 153920294-(3-Cyclopentyloxy-4-methoxyphenyl)-1,1-(ethylenedioxy)-4-(4-nitrophenylethynyl)cyclohexane

생성물 1

HCID 98441184-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-aminophenylethynyl)cyclohexan-1-one

시약·촉매·용매 4

HCID 10313229
titanium(III) trichloride
촉매
HCID 176Acetic Acid용매
HCID 887Methanol용매2회
HCID 6344Dichloromethane용매

실험 절차

To 4-(3-cyclopentyloxy-4-methoxyphenyl)-1,1-(ethylenedioxy)-4-(4-nitrophenylethynyl)cyclohexane (0.19 g, 0.40 mmol) in methanol (1 mL), acetic acid (1.2 mL), and water (1.2 mL) under an argon atmosphere was added titanium trichloride (0.3 g, 2 mmol). After stiring for 1.5 h at room temperature, water (1.2 mL) and ammonium hydroxide (2.5 mL) were added. After stirring an additional 1 h, methanol (17.5 mL), 5% sodium carbonate (17.5 mL) and dichloromethane (35 mL) were added, and stirring was continued for 3 days. The suspension was filtered through Celite®, was washed well with dichloromethane, and was evaporated. Water was added, the mixture was extracted three times with dichloromethane, the extract was dried (magnesium sulfate) and was evaporated. Purification by flash chromatography, eluting with 3:7 ethyl acetate:hexanes, provided 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-aminophenylethynyl)cyclohexan-1-one as a colorless oil. 1H-NMR (400 MHz, CDCl3) δ 7.28 (d, J=8.4 Hz, 2H), 7.24 (d, J=2.1 Hz, 1H), 7.12 (d, J=8.5 Hz, 1H), 6.85 (d, J=8.5 Hz, 1H), 6.64 (d, J=8.1 Hz, 2H), 4.80 (m, 1H), 3.85 (s, 3H), 3.05 (dt, J=14.3, 4.1 Hz, 2H), 2.45 (br d, J=14.6 Hz, 2H), 2.29 (m, 4H), 1.8-2.0 (m, 6H), 1.61 (m, 2H).

후처리

  1. stirringstirring
  2. waitwas continued for 3 days
  3. filtrationThe suspension was filtered through Celite®
  4. washwas washed well with dichloromethane
  5. customwas evaporated
  6. additionWater was added
  7. extractionthe mixture was extracted three times with dichloromethane
  8. dry with materialthe extract was dried (magnesium sulfate)
  9. customwas evaporated
  10. customPurification by flash chromatography
  11. washeluting with 3:7 ethyl acetate

출처 및 근거

ORD 기록
ord-f8b7832455a84721a42fbfed74e0cc47
출처 데이터셋
uspto-grants-1999_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05861421

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